2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine

C14H25N3 — CID 130563657

IUPAC2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
SMILESCC(CN)NC(C)CN(C)Cc1ccccc1
InChIInChI=1S/C14H25N3/c1-12(9-15)16-13(2)10-17(3)11-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11,15H2,1-3H3
InChIKeyZZMFADUNKZSGES-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.44
Rot. Bonds7

About 2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine

2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine (PubChem CID 130563657) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
PubChem CID130563657
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
SMILESCC(CN)NC(C)CN(C)Cc1ccccc1
InChIInChI=1S/C14H25N3/c1-12(9-15)16-13(2)10-17(3)11-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11,15H2,1-3H3
InChIKeyZZMFADUNKZSGES-UHFFFAOYSA-N
XLogP1.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
CID 130563731
1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine
CID 130563719
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
2-N-[1-(dimethylamino)propan-2-yl]propane-1,2-diamine
CID 103390735
1-N-benzyl-1-N-methyl-2-N-(4-methylsulfonylphenyl)propane-1,2-diamine
CID 133452642
1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 133435889
N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
CID 162416433
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43420040
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide
CID 120994064
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
CID 176893860
CID 176893860

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine?
The IUPAC name of 2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine (CID 130563657) is 2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine is CC(CN)NC(C)CN(C)Cc1ccccc1.
What is the InChIKey of 2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine?
The InChIKey is ZZMFADUNKZSGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(9-15)16-13(2)10-17(3)11-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11,15H2,1-3H3.
What are the key properties of 2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine?
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine is sourced from PubChem (CID 130563657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).